Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-540518

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-540518
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 104
  • Number of elements: 4
  • Element list: ['Li', 'Ni', 'P', 'O']
  • Chemical System: Li-Ni-O-P
  • Density: 3.242987544426164
  • Atomic Density: 0.08943911590517624
  • Unit Cell Volume: 1162.8021917195747
  • Molar Volume: 6.73322930247287
  • Full Formula: Li16 Ni12 P16 O60
  • Reduced Formula: Li4Ni3P4O15
  • Formula Anonymous: A3B4C4D15
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -733.14089096
  • Final energy per atom: -7.0494316438461535
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.